#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbu h TYR 2 N 0.00 0.71 -0.71 -1.84 -0.00 -1.93 -2.09 116.97 111.11 2bbu h TYR 2 Ca 0.00 -0.03 0.14 0.00 -0.00 0.00 0.00 58.73 58.84 2bbu h TYR 2 Cb 0.00 -0.22 -0.05 0.00 -0.00 0.00 0.00 36.73 36.46 2bbu h TYR 2 CO 0.00 0.55 0.48 0.37 -0.00 0.00 0.00 178.16 179.56 2bbu h GLN 3 N 0.71 0.38 -0.41 0.10 5.75 -1.95 -1.31 115.11 118.39 2bbu h GLN 3 Ca 0.17 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 2bbu h GLN 3 Cb 0.14 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2bbu h GLN 3 CO -0.02 0.25 0.17 1.25 -2.65 0.00 0.00 178.83 177.83 2bbu h LEU 4 N 0.39 0.21 -0.57 -2.39 5.85 -1.81 -0.94 115.31 116.05 2bbu h LEU 4 Ca 0.34 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.11 2bbu h LEU 4 Cb 0.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2bbu h LEU 4 CO -0.10 0.16 0.37 1.62 -0.34 0.00 0.00 178.44 180.15 2bbu h VAL 5 N 0.35 1.14 0.05 1.05 3.04 -1.35 0.53 116.25 121.05 2bbu h VAL 5 Ca 0.18 -0.26 0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2bbu h VAL 5 Cb 0.14 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 2bbu h VAL 5 CO -0.16 0.14 -0.07 0.58 -1.01 0.00 0.00 177.57 177.05 2bbu h VAL 6 N 0.76 0.83 -0.40 1.51 2.07 -1.22 0.75 116.25 120.55 2bbu h VAL 6 Ca 0.21 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 2bbu h VAL 6 Cb -0.08 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2bbu h VAL 6 CO -0.05 0.00 0.26 0.78 0.02 0.00 0.00 177.57 178.58 2bbu h ASN 7 N -0.15 0.45 -0.53 0.57 4.21 -0.91 -0.79 115.58 118.43 2bbu h ASN 7 Ca 0.01 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 2bbu h ASN 7 Cb 0.16 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2bbu h ASN 7 CO -0.04 0.32 0.22 0.00 -1.29 0.00 0.00 177.43 176.64 2bbu h ALA 8 N 1.15 0.69 -0.96 -0.83 0.00 -0.53 -2.33 119.26 116.45 2bbu h ALA 8 Ca 0.15 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2bbu h ALA 8 Cb -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 2bbu h ALA 8 CO -0.04 0.29 0.62 0.28 0.00 0.00 0.00 179.25 180.40 2bbu h VAL 9 N 0.71 1.07 -0.94 0.00 2.07 0.98 0.71 116.25 120.86 2bbu h VAL 9 Ca 0.18 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.42 2bbu h VAL 9 Cb 0.18 -0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 29.75 2bbu h VAL 9 CO -0.02 0.20 0.58 -0.09 0.02 0.00 0.00 177.57 178.26 2bbu h ARG 10 N 1.10 0.93 0.11 1.57 9.65 -0.59 2.50 114.38 129.65 2bbu h ARG 10 Ca 0.41 -0.06 -0.24 0.00 -1.10 0.00 0.00 59.98 59.00 2bbu h ARG 10 Cb 0.19 -0.21 0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2bbu h ARG 10 CO -0.16 0.62 -1.01 0.87 2.80 0.00 0.00 179.97 183.09 2bbu h LYS 11 N 0.96 0.49 -0.22 0.20 1.57 -1.10 -2.69 116.57 115.78 2bbu h LYS 11 Ca 0.45 -0.67 -0.19 0.00 -1.87 0.00 0.00 60.65 58.36 2bbu h LYS 11 Cb 0.37 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2bbu h LYS 11 CO -0.24 1.29 -0.62 1.25 -0.57 0.00 0.00 179.45 180.56 2bbu h LEU 12 N 0.01 0.87 -1.11 2.94 5.85 -0.32 -3.11 115.31 120.44 2bbu h LEU 12 Ca -0.16 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 57.99 2bbu h LEU 12 Cb 1.73 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2bbu h LEU 12 CO 0.19 1.28 -0.16 0.06 -0.34 0.00 0.00 178.44 179.48 2bbu h GLN 13 N 0.57 0.44 0.00 1.25 3.07 0.42 -2.00 115.11 118.85 2bbu h GLN 13 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2bbu h GLN 13 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2bbu h GLN 13 CO 0.13 0.59 0.10 1.49 0.09 0.00 0.00 178.83 181.23 2bbu h GLU 14 N 0.40 0.00 -0.72 0.06 4.57 -1.40 -1.95 114.58 115.55 2bbu h GLU 14 Ca 0.07 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2bbu h GLU 14 Cb 0.51 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 2bbu h GLU 14 CO 0.03 0.00 0.41 1.03 -1.18 0.00 0.00 179.01 179.30 2bbu h SER 15 N 0.00 0.61 0.00 1.04 0.87 -1.46 -3.46 113.55 111.15 2bbu h SER 15 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2bbu h SER 15 Cb 0.20 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2bbu h SER 15 CO 0.00 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 2bbu n GLY 16 N -1.30 1.91 1.63 5.77 0.00 -0.73 -5.03 105.19 107.44 2bbu n GLY 16 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2bbu n GLY 16 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bbu n PHE 17 N -0.18 -0.78 -3.31 1.61 1.16 -1.26 -4.05 117.46 110.64 2bbu n PHE 17 Ca 0.00 -0.96 -0.38 0.00 -1.87 0.00 0.00 57.45 54.23 2bbu n PHE 17 Cb 0.00 0.90 -0.06 0.00 -1.61 0.00 0.00 39.48 38.71 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2bbu s TYR 18 N 0.04 3.64 0.09 2.97 6.14 -1.26 -3.82 117.35 125.15 2bbu s TYR 18 Ca 0.04 1.05 0.08 0.00 0.64 0.00 0.00 57.07 58.88 2bbu s TYR 18 Cb 0.17 -2.51 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 2bbu s TYR 18 CO -0.05 0.37 -0.21 -1.58 0.64 0.00 0.00 175.55 174.71 2bbu s TRP 19 N -0.16 1.84 0.00 4.97 0.52 0.63 -4.94 118.94 121.80 2bbu s TRP 19 Ca 0.27 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.05 2bbu s TRP 19 Cb -0.17 -1.03 0.10 0.00 -1.15 0.00 0.00 33.47 31.21 2bbu s TRP 19 CO 0.14 0.18 0.91 0.43 0.02 0.00 0.00 176.95 178.64 2bbu n SER 20 N 1.29 0.07 -0.24 2.95 7.64 -1.26 -3.56 113.62 120.51 2bbu n SER 20 Ca -0.19 -1.75 0.03 0.00 1.01 0.00 0.00 58.87 57.97 2bbu n SER 20 Cb 0.53 -0.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbu n ALA 21 N 0.11 2.48 -2.36 -0.43 0.00 -1.26 -4.87 120.51 114.18 2bbu n ALA 21 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2bbu n ALA 21 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2bbu n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N 0.33 0.00 -3.14 0.00 0.24 -1.26 -5.07 118.33 109.43 2bbu n VAL 22 Ca 0.04 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.15 2bbu n VAL 22 Cb 0.15 -0.55 0.01 0.00 -1.47 0.00 0.00 33.84 31.98 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2bbu s THR 23 N 1.78 2.85 0.00 3.34 2.01 -1.26 -4.76 115.64 119.60 2bbu s THR 23 Ca 0.00 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2bbu s THR 23 Cb 0.00 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.59 2bbu s THR 23 CO 0.00 0.00 0.55 0.61 -0.69 0.00 0.00 174.62 175.09 2bbu n GLY 24 N -1.82 -3.54 0.08 4.40 0.00 -1.26 -0.11 105.19 102.94 2bbu n GLY 24 Ca 0.08 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 2bbu n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bbu h GLY 25 N 0.00 0.06 1.02 -0.02 0.00 -1.97 -3.28 103.07 98.88 2bbu h GLY 25 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.23 2bbu h GLY 25 CO 0.00 0.13 0.54 -2.09 0.00 0.00 0.00 176.54 175.12 2bbu h GLU 26 N 0.02 0.95 0.06 4.80 4.57 -1.93 1.29 114.58 124.34 2bbu h GLU 26 Ca -0.03 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2bbu h GLU 26 Cb 1.75 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2bbu h GLU 26 CO 0.14 0.63 -0.03 0.00 -1.18 0.00 0.00 179.01 178.56 2bbu h ALA 27 N 1.53 -0.09 -0.04 2.92 0.00 -0.57 0.26 119.26 123.28 2bbu h ALA 27 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2bbu h ALA 27 Cb 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bbu h ALA 27 CO -0.11 -0.51 -0.04 -0.91 0.00 0.00 0.00 179.25 177.68 2bbu h ASN 28 N -0.16 0.10 -0.20 0.00 2.35 -1.46 -3.18 115.58 113.03 2bbu h ASN 28 Ca -0.01 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.26 2bbu h ASN 28 Cb 0.14 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2bbu h ASN 28 CO 0.01 0.56 0.13 -0.07 -1.65 0.00 0.00 177.43 176.42 2bbu h LEU 29 N -0.37 0.20 -2.10 1.61 4.07 0.17 -1.45 115.31 117.44 2bbu h LEU 29 Ca 0.01 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2bbu h LEU 29 Cb 0.54 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 2bbu h LEU 29 CO 0.01 0.15 0.32 0.25 -1.08 0.00 0.00 178.44 178.08 2bbu h LEU 30 N 0.24 0.00 -1.47 1.67 5.85 -0.45 0.25 115.31 121.41 2bbu h LEU 30 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2bbu h LEU 30 Cb 0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2bbu h LEU 30 CO -0.02 0.00 0.34 -0.07 -0.34 0.00 0.00 178.44 178.36 2bbu h LEU 31 N 0.00 0.61 -0.89 2.25 3.38 -1.40 -0.38 115.31 118.88 2bbu h LEU 31 Ca 0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2bbu h LEU 31 Cb 0.71 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2bbu h LEU 31 CO -0.00 0.45 -0.45 -1.28 0.09 0.00 0.00 178.44 177.25 2bbu h SER 32 N 0.72 0.25 1.90 -0.43 0.87 -0.68 0.53 113.55 116.71 2bbu h SER 32 Ca 0.19 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2bbu h SER 32 Cb -0.07 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2bbu h SER 32 CO -0.04 0.67 -0.10 0.00 -0.53 0.00 0.00 176.83 176.83 2bbu h ALA 33 N 1.34 0.94 -3.00 6.23 0.00 -1.22 -3.40 119.26 120.15 2bbu h ALA 33 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bbu h ALA 33 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2bbu h ALA 33 CO 0.07 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.81 2bbu n GLU 34 N -3.11 0.00 -1.46 0.00 1.02 -0.29 -4.91 120.64 111.89 2bbu n GLU 34 Ca 0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 2bbu n GLU 34 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.96 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bbu n PRO 35 N -0.59 2.51 -1.60 3.49 -0.04 -0.50 -4.95 135.00 133.32 2bbu n PRO 35 Ca 0.00 -2.27 -0.43 0.00 -0.04 0.00 0.00 63.50 60.76 2bbu n PRO 35 Cb 0.00 -3.08 -0.00 0.00 -0.04 0.00 0.00 33.50 30.38 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 6.10 -0.02 -1.75 0.55 0.00 0.17 -1.37 120.51 124.19 2bbu n ALA 36 Ca 0.54 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 54.21 2bbu n ALA 36 Cb 0.36 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 2bbu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bbu n GLY 37 N 1.20 0.46 3.39 0.00 0.00 -1.25 -4.97 105.19 104.01 2bbu n GLY 37 Ca 0.09 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2bbu n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 38 N -2.36 2.27 -0.03 2.61 2.01 -0.47 -4.39 115.64 115.29 2bbu s THR 38 Ca 0.00 -1.70 0.07 0.00 0.31 0.00 0.00 61.69 60.38 2bbu s THR 38 Cb 0.00 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 2bbu s THR 38 CO 0.00 0.13 -0.25 0.72 -0.69 0.00 0.00 174.62 174.53 2bbu s PHE 39 N -1.03 2.27 0.13 4.92 -0.12 -0.68 -3.83 117.98 119.64 2bbu s PHE 39 Ca 0.14 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 2bbu s PHE 39 Cb -0.10 -1.47 -0.04 0.00 -0.63 0.00 0.00 43.02 40.78 2bbu s PHE 39 CO 0.06 -0.08 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.90 2bbu s LEU 40 N -0.47 2.47 -0.10 -1.99 0.20 -1.24 -3.82 118.68 113.73 2bbu s LEU 40 Ca 0.06 -1.03 0.01 0.00 0.69 0.00 0.00 54.13 53.87 2bbu s LEU 40 Cb -0.11 -0.17 -0.02 0.00 -0.43 0.00 0.00 46.19 45.46 2bbu s LEU 40 CO 0.00 -0.43 -0.13 -0.63 -0.29 0.00 0.00 176.35 174.87 2bbu s ILE 41 N -3.51 3.06 0.05 6.68 -1.09 -1.25 -3.65 121.20 121.48 2bbu s ILE 41 Ca 0.15 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.94 2bbu s ILE 41 Cb 0.04 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2bbu s ILE 41 CO -0.02 0.55 -0.15 -0.60 -1.23 0.00 0.00 174.94 173.49 2bbu s ARG 42 N -0.10 0.98 -0.12 2.79 3.52 -0.83 -0.27 118.95 124.92 2bbu s ARG 42 Ca -0.02 -0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 54.68 2bbu s ARG 42 Cb -0.14 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 2bbu s ARG 42 CO 0.04 0.25 0.18 0.34 -0.81 0.00 0.00 175.30 175.29 2bbu s ASP 43 N -1.25 6.41 1.02 -2.12 -1.08 -1.24 -1.12 116.67 117.29 2bbu s ASP 43 Ca 0.02 0.49 -0.20 0.00 -0.52 0.00 0.00 52.55 52.34 2bbu s ASP 43 Cb -0.08 -2.10 -0.07 0.00 -1.46 0.00 0.00 42.92 39.21 2bbu s ASP 43 CO 0.02 0.35 -0.63 -0.24 0.52 0.00 0.00 175.17 175.19 2bbu n SER 44 N 2.27 -3.45 0.00 -0.34 2.88 -0.65 -4.90 113.62 109.43 2bbu n SER 44 Ca -0.18 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2bbu n SER 44 Cb 0.54 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bbu n SER 45 N 1.33 0.00 -4.11 -3.46 2.88 -1.26 -4.66 113.62 104.34 2bbu n SER 45 Ca 0.00 0.19 -0.35 0.00 -1.33 0.00 0.00 58.87 57.38 2bbu n SER 45 Cb 0.63 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.16 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bbu n ASP 46 N -0.26 -4.89 0.05 -3.46 -0.08 -1.26 -4.85 116.55 101.80 2bbu n ASP 46 Ca 0.00 0.21 0.12 0.00 -1.51 0.00 0.00 54.79 53.61 2bbu n ASP 46 Cb 0.00 -0.87 0.20 0.00 2.34 0.00 0.00 41.12 42.80 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2bbu n GLN 47 N 1.38 0.25 -0.39 -0.67 7.27 -1.26 -3.74 117.38 120.22 2bbu n GLN 47 Ca 0.00 0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.16 2bbu n GLN 47 Cb 0.56 -1.66 0.15 0.00 2.41 0.00 0.00 30.24 31.70 2bbu n GLN 47 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2bbu n ARG 48 N -2.03 2.45 -4.33 3.69 0.63 -1.26 -4.87 116.66 110.93 2bbu n ARG 48 Ca 0.04 -1.29 -0.26 0.00 -0.92 0.00 0.00 57.85 55.41 2bbu n ARG 48 Cb 0.42 -1.77 -0.08 0.00 0.45 0.00 0.00 32.46 31.48 2bbu n ARG 48 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2bbu s HIS 49 N -1.67 2.49 0.62 -0.14 3.76 -1.24 -4.72 115.29 114.39 2bbu s HIS 49 Ca 0.23 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 2bbu s HIS 49 Cb 0.18 -1.87 0.13 0.00 1.11 0.00 0.00 32.58 32.12 2bbu s HIS 49 CO 0.06 0.25 0.85 1.97 -0.85 0.00 0.00 174.74 177.03 2bbu n PHE 50 N -1.17 -3.23 -4.34 1.40 1.16 -1.26 -4.70 117.46 105.32 2bbu n PHE 50 Ca -0.04 -1.31 -0.26 0.00 -1.87 0.00 0.00 57.45 53.98 2bbu n PHE 50 Cb 0.66 -0.63 -0.10 0.00 -1.61 0.00 0.00 39.48 37.80 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 2bbu s PHE 51 N -2.61 2.54 0.15 2.97 -0.12 -1.26 -1.64 117.98 117.99 2bbu s PHE 51 Ca 0.54 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 2bbu s PHE 51 Cb -0.03 -1.21 -0.04 0.00 -0.63 0.00 0.00 43.02 41.11 2bbu s PHE 51 CO 0.37 0.55 -0.17 0.99 -0.05 0.00 0.00 175.22 176.90 2bbu s THR 52 N -1.87 1.68 -0.04 -4.49 2.01 -0.28 -4.21 115.64 108.45 2bbu s THR 52 Ca 0.25 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.43 2bbu s THR 52 Cb -0.08 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.71 2bbu s THR 52 CO 0.15 -0.32 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.50 2bbu s LEU 53 N -2.55 1.38 0.06 4.42 2.96 -1.25 -1.97 118.68 121.73 2bbu s LEU 53 Ca 0.13 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2bbu s LEU 53 Cb -0.06 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 2bbu s LEU 53 CO 0.05 -0.05 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.03 2bbu s SER 54 N 0.80 0.89 0.35 3.68 1.04 -1.24 -4.20 113.70 115.02 2bbu s SER 54 Ca -0.10 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.64 2bbu s SER 54 Cb -0.13 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.00 2bbu s SER 54 CO -0.00 -0.32 0.06 0.54 0.98 0.00 0.00 173.24 174.50 2bbu s VAL 55 N -2.28 1.17 -0.06 5.02 0.11 -1.25 -3.69 120.40 119.42 2bbu s VAL 55 Ca -0.02 -2.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.09 2bbu s VAL 55 Cb -0.04 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2bbu s VAL 55 CO -0.02 0.00 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.97 2bbu s LYS 56 N -3.86 2.58 -0.51 1.54 3.01 -1.25 -3.94 119.74 117.31 2bbu s LYS 56 Ca 0.34 -0.88 0.08 0.00 -1.01 0.00 0.00 55.97 54.49 2bbu s LYS 56 Cb 0.08 -2.19 0.33 0.00 -1.01 0.00 0.00 37.83 35.04 2bbu s LYS 56 CO 0.15 0.39 0.84 -2.37 0.51 0.00 0.00 175.35 174.87 2bbu n THR 57 N 2.93 1.78 0.00 2.17 5.66 -1.23 -3.92 114.28 121.66 2bbu n THR 57 Ca -0.17 -5.16 0.00 0.00 -3.05 0.00 0.00 64.05 55.67 2bbu n THR 57 Cb 0.52 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 2bbu n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bbu n GLN 58 N 0.10 0.00 -2.70 1.09 6.02 -1.26 -3.47 117.38 117.16 2bbu n GLN 58 Ca 0.28 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.21 2bbu n GLN 58 Cb 0.49 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.81 2bbu n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bbu n SER 59 N 1.37 0.52 -2.92 1.08 2.88 -1.26 -4.99 113.62 110.30 2bbu n SER 59 Ca 0.00 -2.49 -0.12 0.00 -1.33 0.00 0.00 58.87 54.93 2bbu n SER 59 Cb 0.00 -0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 60 N -0.39 0.65 3.47 0.46 0.00 -1.23 -5.10 105.19 103.05 2bbu n GLY 60 Ca 0.04 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 61 N 0.32 5.04 0.13 2.61 2.01 -1.26 -3.57 115.64 120.93 2bbu s THR 61 Ca 0.32 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2bbu s THR 61 Cb 0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2bbu s THR 61 CO -0.16 -0.52 -0.14 -0.54 -0.69 0.00 0.00 174.62 172.57 2bbu s LYS 62 N 2.23 1.06 0.02 4.92 3.01 -1.25 -5.06 119.74 124.67 2bbu s LYS 62 Ca 0.13 -1.29 -0.00 0.00 -1.01 0.00 0.00 55.97 53.80 2bbu s LYS 62 Cb -0.18 -0.94 -0.02 0.00 -1.01 0.00 0.00 37.83 35.69 2bbu s LYS 62 CO 0.13 0.18 -0.03 -0.80 0.51 0.00 0.00 175.35 175.34 2bbu s ASN 63 N -2.56 0.22 0.03 2.83 0.01 -1.26 -3.90 114.94 110.31 2bbu s ASN 63 Ca 0.11 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 2bbu s ASN 63 Cb -0.04 0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.69 2bbu s ASN 63 CO 0.03 -0.28 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.50 2bbu s LEU 64 N -1.34 2.19 0.15 0.60 1.43 -1.26 -5.06 118.68 115.39 2bbu s LEU 64 Ca -0.15 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 2bbu s LEU 64 Cb -0.09 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2bbu s LEU 64 CO -0.01 -0.10 0.05 0.00 0.23 0.00 0.00 176.35 176.52 2bbu s ARG 65 N -1.20 2.63 0.18 1.70 1.70 -1.26 -3.94 118.95 118.75 2bbu s ARG 65 Ca -0.05 -0.95 -0.15 0.00 -0.47 0.00 0.00 55.73 54.10 2bbu s ARG 65 Cb -0.08 -2.51 -0.07 0.00 -0.57 0.00 0.00 34.95 31.72 2bbu s ARG 65 CO 0.00 0.49 0.60 0.42 -1.08 0.00 0.00 175.30 175.73 2bbu s ILE 66 N -1.64 4.79 -0.07 4.99 -1.09 -1.26 -3.49 121.20 123.43 2bbu s ILE 66 Ca 0.28 0.90 0.05 0.00 -2.23 0.00 0.00 60.65 59.65 2bbu s ILE 66 Cb -0.10 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2bbu s ILE 66 CO 0.20 0.18 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.78 2bbu s GLN 67 N -2.10 2.48 -0.16 2.79 -1.52 0.20 -4.90 119.66 116.45 2bbu s GLN 67 Ca 0.41 -0.79 -0.21 0.00 -1.95 0.00 0.00 55.36 52.82 2bbu s GLN 67 Cb -0.15 -2.01 -0.03 0.00 -0.22 0.00 0.00 33.01 30.61 2bbu s GLN 67 CO 0.20 0.25 0.64 0.00 -0.25 0.00 0.00 175.29 176.13 2bbu s GLU 69 N 1.61 0.85 -0.91 0.00 -6.30 0.51 -4.87 118.70 109.60 2bbu s GLU 69 Ca 0.31 -0.41 -0.07 0.00 -2.50 0.00 0.00 54.97 52.30 2bbu s GLU 69 Cb -0.16 -1.97 -0.01 0.00 0.00 0.00 0.00 34.13 31.98 2bbu s GLU 69 CO 0.12 -0.56 0.74 0.41 0.02 0.00 0.00 175.26 175.99 2bbu n GLY 70 N 5.01 -1.18 2.27 -1.50 0.00 -1.26 -0.66 105.19 107.86 2bbu n GLY 70 Ca -0.09 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N -1.64 1.15 3.47 -0.02 0.00 -1.26 -4.91 105.19 101.98 2bbu n GLY 71 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 72 N -2.11 3.30 -0.01 1.61 0.01 0.16 -4.91 113.70 111.75 2bbu s SER 72 Ca 0.00 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.16 2bbu s SER 72 Cb 0.00 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2bbu s SER 72 CO 0.00 -0.18 -0.10 -0.36 0.41 0.00 0.00 173.24 173.01 2bbu s PHE 73 N -2.74 0.94 -0.10 2.43 0.40 -1.26 0.19 117.98 117.85 2bbu s PHE 73 Ca 0.30 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 2bbu s PHE 73 Cb 0.01 -0.61 0.03 0.00 0.51 0.00 0.00 43.02 42.95 2bbu s PHE 73 CO 0.14 -0.02 0.26 0.45 0.70 0.00 0.00 175.22 176.75 2bbu s SER 74 N -0.23 -0.27 -1.38 1.36 0.15 0.45 -4.13 113.70 109.65 2bbu s SER 74 Ca 0.04 0.53 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 2bbu s SER 74 Cb -0.04 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 2bbu s SER 74 CO -0.00 -0.10 2.04 -0.11 1.20 0.00 0.00 173.24 176.27 2bbu n LEU 75 N 3.07 6.55 -1.60 3.45 7.94 -1.26 0.60 117.00 135.75 2bbu n LEU 75 Ca -0.14 -4.28 -0.17 0.00 -1.11 0.00 0.00 56.01 50.30 2bbu n LEU 75 Cb 0.58 -1.61 -0.07 0.00 0.53 0.00 0.00 43.42 42.85 2bbu n LEU 75 CO 0.17 1.08 -0.17 0.00 -1.11 0.00 0.00 177.39 177.36 2bbu n GLN 76 N 5.65 -1.43 -2.16 1.96 1.13 -1.23 -4.87 117.38 116.42 2bbu n GLN 76 Ca 0.47 1.01 -0.26 0.00 -1.94 0.00 0.00 57.00 56.28 2bbu n GLN 76 Cb 0.39 -5.36 0.08 0.00 0.11 0.00 0.00 30.24 25.46 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2bbu s SER 77 N -2.43 4.64 0.07 1.08 0.01 -1.26 -5.08 113.70 110.74 2bbu s SER 77 Ca 0.00 0.44 0.03 0.00 1.31 0.00 0.00 55.95 57.74 2bbu s SER 77 Cb 0.00 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.17 2bbu s SER 77 CO 0.00 -1.72 0.05 -1.81 0.41 0.00 0.00 173.24 170.17 2bbu s ASP 78 N -4.56 5.38 -0.49 2.44 1.11 -1.26 -4.99 116.67 114.31 2bbu s ASP 78 Ca 0.62 -0.04 -0.05 0.00 0.18 0.00 0.00 52.55 53.25 2bbu s ASP 78 Cb -0.10 -1.41 -0.12 0.00 1.07 0.00 0.00 42.92 42.36 2bbu s ASP 78 CO 0.46 0.19 2.43 -0.81 1.18 0.00 0.00 175.17 178.61 2bbu n PRO 79 N 0.59 1.82 -0.04 8.23 -0.04 -1.26 -4.55 135.00 139.75 2bbu n PRO 79 Ca -0.10 -1.09 -0.11 0.00 -0.04 0.00 0.00 63.50 62.16 2bbu n PRO 79 Cb 0.52 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 2bbu n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu h ARG 80 N 4.96 0.25 -4.78 0.54 3.08 -2.00 -3.48 114.38 112.95 2bbu h ARG 80 Ca 0.33 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 2bbu h ARG 80 Cb 0.62 -0.04 0.05 0.00 0.08 0.00 0.00 29.97 30.68 2bbu h ARG 80 CO 0.87 0.31 -0.21 0.43 -1.07 0.00 0.00 179.97 180.30 2bbu n SER 81 N -4.87 -6.02 0.02 7.04 7.64 -1.26 -4.94 113.62 111.23 2bbu n SER 81 Ca -0.04 -0.21 0.11 0.00 1.01 0.00 0.00 58.87 59.74 2bbu n SER 81 Cb 0.11 -4.13 0.11 0.00 -1.01 0.00 0.00 64.21 59.28 2bbu n SER 81 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2bbu n THR 82 N -1.98 0.13 0.05 0.44 5.66 -1.26 -4.90 114.28 112.42 2bbu n THR 82 Ca -0.02 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2bbu n THR 82 Cb 0.53 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2bbu n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bbu n GLN 83 N -1.80 0.00 -0.02 1.09 6.02 -1.26 -5.14 117.38 116.27 2bbu n GLN 83 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2bbu n GLN 83 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2bbu n PRO 84 N -2.99 -0.77 -3.77 -1.09 -0.04 -1.26 -5.04 135.00 120.04 2bbu n PRO 84 Ca 0.00 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2bbu n PRO 84 Cb 0.00 -0.02 -0.05 0.00 -0.04 0.00 0.00 33.50 33.39 2bbu n PRO 84 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bbu s VAL 85 N -1.04 5.26 0.17 0.52 1.01 -1.26 -4.81 120.40 120.25 2bbu s VAL 85 Ca 0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2bbu s VAL 85 Cb -0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2bbu s VAL 85 CO 0.01 0.15 1.31 -2.16 0.00 0.00 0.00 175.10 174.41 2bbu s PRO 86 N -2.38 4.38 0.00 2.72 0.04 -1.26 -3.40 135.00 135.09 2bbu s PRO 86 Ca 0.36 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2bbu s PRO 86 Cb -0.13 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2bbu s PRO 86 CO 0.23 -0.29 0.00 0.54 0.04 0.00 0.00 177.00 177.53 2bbu n ARG 87 N 3.06 0.00 -0.20 4.56 1.74 -1.26 -4.84 116.66 119.72 2bbu n ARG 87 Ca 0.08 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.18 2bbu n ARG 87 Cb 0.43 -0.01 -0.01 0.00 -1.02 0.00 0.00 32.46 31.85 2bbu n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2bbu n PHE 88 N 0.00 -1.86 -3.57 -1.55 7.35 -1.22 -4.26 117.46 112.35 2bbu n PHE 88 Ca 0.00 0.25 -0.40 0.00 -0.76 0.00 0.00 57.45 56.54 2bbu n PHE 88 Cb 0.00 -0.42 -0.11 0.00 0.35 0.00 0.00 39.48 39.30 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bbu s ASP 89 N -3.75 5.86 0.00 -2.13 -1.08 -1.26 -4.25 116.67 110.06 2bbu s ASP 89 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.43 2bbu s ASP 89 Cb 0.00 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 2bbu s ASP 89 CO 0.00 -0.27 0.00 0.00 0.52 0.00 0.00 175.17 175.42 2bbu h VAL 91 N 0.00 0.04 -0.80 0.00 3.04 -1.88 -0.57 116.25 116.07 2bbu h VAL 91 Ca 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.84 2bbu h VAL 91 Cb 0.00 0.42 -0.06 0.00 -2.01 0.00 0.00 31.29 29.65 2bbu h VAL 91 CO 0.00 0.00 0.53 0.17 -1.01 0.00 0.00 177.57 177.26 2bbu h LEU 92 N 0.00 0.46 -1.44 3.16 8.10 -1.85 0.12 115.31 123.87 2bbu h LEU 92 Ca 0.05 0.03 0.05 0.00 0.11 0.00 0.00 57.88 58.12 2bbu h LEU 92 Cb 1.25 -0.06 -0.04 0.00 -0.44 0.00 0.00 40.66 41.37 2bbu h LEU 92 CO -0.00 0.23 0.43 0.50 -4.11 0.00 0.00 178.44 175.49 2bbu h LYS 93 N 0.49 0.69 -0.40 0.17 1.63 -1.34 0.22 116.57 118.03 2bbu h LYS 93 Ca 0.40 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 2bbu h LYS 93 Cb 0.85 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2bbu h LYS 93 CO -0.15 0.45 0.10 -0.07 -3.45 0.00 0.00 179.45 176.34 2bbu h LEU 94 N 0.71 0.54 -1.30 5.20 3.38 -0.95 -2.18 115.31 120.72 2bbu h LEU 94 Ca 0.27 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.29 2bbu h LEU 94 Cb 0.17 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2bbu h LEU 94 CO -0.08 0.54 0.56 1.62 0.09 0.00 0.00 178.44 181.18 2bbu h VAL 95 N 0.58 0.86 -0.68 1.22 3.04 -0.87 0.26 116.25 120.67 2bbu h VAL 95 Ca 0.14 -0.24 0.17 0.00 -1.01 0.00 0.00 66.70 65.76 2bbu h VAL 95 Cb 0.21 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 29.55 2bbu h VAL 95 CO -0.00 0.13 0.48 -0.74 -1.01 0.00 0.00 177.57 176.42 2bbu h HIS 96 N 0.71 0.17 -0.38 3.17 6.17 -1.40 0.36 115.15 123.96 2bbu h HIS 96 Ca 0.43 0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.43 2bbu h HIS 96 Cb 0.65 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.51 2bbu h HIS 96 CO -0.00 0.06 -0.10 1.12 0.71 0.00 0.00 177.93 179.72 2bbu h HIS 97 N 0.15 0.71 0.00 5.26 -0.00 -0.59 -1.54 115.15 119.14 2bbu h HIS 97 Ca 0.33 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2bbu h HIS 97 Cb 1.10 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 2bbu h HIS 97 CO -0.00 0.73 0.00 0.66 -0.00 0.00 0.00 177.93 179.32 2bbu n TYR 98 N -4.19 0.09 -1.59 6.12 4.01 0.13 -4.54 117.16 117.19 2bbu n TYR 98 Ca 0.01 0.04 -0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2bbu n TYR 98 Cb 0.34 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 2bbu n TYR 98 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2bbu n MET 99 N -1.59 -0.15 -1.32 -0.72 0.00 -0.58 -4.38 117.12 108.40 2bbu n MET 99 Ca 0.01 0.60 -0.29 0.00 0.00 0.00 0.00 57.70 58.02 2bbu n MET 99 Cb 0.06 -1.78 0.19 0.00 0.00 0.00 0.00 33.22 31.69 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2bbu s PRO 100 N -1.32 -0.04 -0.07 2.12 0.04 -1.26 -3.88 135.00 130.59 2bbu s PRO 100 Ca 0.01 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 2bbu s PRO 100 Cb -0.00 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2bbu s PRO 100 CO 0.05 -2.96 1.34 -1.25 0.04 0.00 0.00 177.00 174.23 2bbu s PRO 101 N -5.33 4.27 0.18 0.56 0.04 -1.26 -4.85 135.00 128.62 2bbu s PRO 101 Ca 0.68 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2bbu s PRO 101 Cb -0.12 -3.69 -0.08 0.00 0.04 0.00 0.00 34.50 30.65 2bbu s PRO 101 CO 0.55 -0.62 1.17 -1.25 0.04 0.00 0.00 177.00 176.89 2bbu s PRO 102 N 2.92 4.52 0.00 0.56 0.04 -1.26 -4.94 135.00 136.84 2bbu s PRO 102 Ca 0.60 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2bbu s PRO 102 Cb -0.27 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2bbu s PRO 102 CO 0.22 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2bbu n GLY 103 N 2.17 4.78 3.68 0.56 0.00 -1.26 -5.06 105.19 110.06 2bbu n GLY 103 Ca 0.04 -0.86 -0.61 0.00 0.00 0.00 0.00 46.02 44.59 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbu n THR 104 N -1.82 0.19 0.06 2.61 -2.24 -1.26 -4.85 114.28 106.97 2bbu n THR 104 Ca 0.00 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2bbu n THR 104 Cb 0.00 -0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 67.18 2bbu n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2bbu h PRO 105 N 6.93 -0.23 0.00 -0.78 0.13 -1.97 -3.49 132.00 132.58 2bbu h PRO 105 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2bbu h PRO 105 Cb 1.34 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2bbu h PRO 105 CO 0.98 0.17 0.00 0.45 -0.23 0.00 0.00 178.00 179.37 2bbu n SER 106 N -4.94 0.00 -1.96 1.44 2.88 -1.26 -5.14 113.62 104.64 2bbu n SER 106 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2bbu n SER 106 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2bbu n SER 106 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bbu n PHE 107 N 0.00 -4.97 -0.15 0.66 3.72 -1.26 -4.52 117.46 110.94 2bbu n PHE 107 Ca 0.00 2.72 0.28 0.00 -0.05 0.00 0.00 57.45 60.40 2bbu n PHE 107 Cb 0.00 -3.74 0.72 0.00 -0.94 0.00 0.00 39.48 35.52 2bbu n PHE 107 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2bbu h SER 108 N 3.50 0.00 -3.42 4.37 4.64 -2.07 -3.37 113.55 117.20 2bbu h SER 108 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2bbu h SER 108 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 2bbu h SER 108 CO 0.00 0.00 -0.59 -0.22 -0.87 0.00 0.00 176.83 175.15 2bbu s LEU 109 N -8.03 3.67 0.30 5.97 2.96 -1.26 -5.07 118.68 117.22 2bbu s LEU 109 Ca -0.05 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 2bbu s LEU 109 Cb 0.20 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.85 2bbu s LEU 109 CO 0.70 0.11 1.13 -2.16 -1.32 0.00 0.00 176.35 174.80 2bbu s PRO 110 N 0.77 4.52 0.00 0.98 0.04 -1.26 -5.02 135.00 135.03 2bbu s PRO 110 Ca 0.03 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2bbu s PRO 110 Cb -0.13 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2bbu s PRO 110 CO 0.02 0.09 0.01 -0.35 0.04 0.00 0.00 177.00 176.81 2bbu n PRO 111 N 0.96 0.00 0.00 0.56 -0.04 -1.26 -4.94 135.00 130.28 2bbu n PRO 111 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bbu n PRO 111 Cb 0.45 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 2bbu n PRO 111 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bbu n THR 112 N -0.02 0.00 -2.31 0.52 -2.24 -1.26 -4.89 114.28 104.08 2bbu n THR 112 Ca 0.00 0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.62 2bbu n THR 112 Cb 0.00 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 66.96 2bbu n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2bbu s GLU 113 N -0.53 3.97 0.00 -0.78 2.12 -1.26 -4.85 118.70 117.37 2bbu s GLU 113 Ca 0.00 1.52 0.20 0.00 0.36 0.00 0.00 54.97 57.05 2bbu s GLU 113 Cb 0.00 -3.91 1.17 0.00 0.26 0.00 0.00 34.13 31.65 2bbu s GLU 113 CO 0.00 -1.06 1.62 -0.35 -0.54 0.00 0.00 175.26 174.93 2bbu n PRO 114 N 7.24 0.54 -3.60 4.30 -0.04 -1.26 -4.41 135.00 137.76 2bbu n PRO 114 Ca 0.16 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.37 2bbu n PRO 114 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 2bbu n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu s SER 115 N -2.18 3.21 -0.33 3.54 0.15 -1.26 -4.99 113.70 111.84 2bbu s SER 115 Ca 0.27 -1.10 0.16 0.00 0.70 0.00 0.00 55.95 55.98 2bbu s SER 115 Cb 0.14 -0.41 0.44 0.00 -1.71 0.00 0.00 66.02 64.48 2bbu s SER 115 CO 0.26 -0.40 1.16 -0.24 1.20 0.00 0.00 173.24 175.22 2bbu n SER 116 N 5.19 0.23 0.00 5.45 2.88 -1.26 -5.10 113.62 121.00 2bbu n SER 116 Ca -0.06 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 2bbu n SER 116 Cb 0.44 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2bbu n SER 116 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2bbu n GLU 117 N -0.49 3.72 -2.73 -1.46 0.28 -1.26 -4.93 120.64 113.77 2bbu n GLU 117 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.99 2bbu n GLU 117 Cb 0.83 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.67 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2bbu n VAL 118 N 0.00-10.34 -1.65 3.84 0.31 -1.26 -4.69 118.33 104.53 2bbu n VAL 118 Ca 0.00 2.07 -0.39 0.00 -0.01 0.00 0.00 64.34 66.01 2bbu n VAL 118 Cb 0.00 -5.81 -0.04 0.00 -0.91 0.00 0.00 33.84 27.08 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bbu n PRO 119 N 1.64 1.95 -3.70 5.55 -0.04 -1.26 -4.83 135.00 134.32 2bbu n PRO 119 Ca -0.26 -2.30 -0.11 0.00 -0.04 0.00 0.00 63.50 60.79 2bbu n PRO 119 Cb 0.43 -3.26 -0.10 0.00 -0.04 0.00 0.00 33.50 30.53 2bbu n PRO 119 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2bbu s GLU 120 N 4.99 0.44 -0.00 0.54 2.56 -1.26 -5.06 118.70 120.90 2bbu s GLU 120 Ca 0.58 0.75 -0.01 0.00 0.00 0.00 0.00 54.97 56.29 2bbu s GLU 120 Cb 0.09 0.06 0.00 0.00 2.00 0.00 0.00 34.13 36.29 2bbu s GLU 120 CO 0.08 -0.13 0.02 1.04 -0.56 0.00 0.00 175.26 175.72 2bbu n GLN 121 N 3.84 -4.12 -2.34 4.30 3.00 -1.26 -4.82 117.38 115.98 2bbu n GLN 121 Ca -0.20 3.00 -0.42 0.00 -0.01 0.00 0.00 57.00 59.36 2bbu n GLN 121 Cb 0.56 -3.90 -0.03 0.00 0.00 0.00 0.00 30.24 26.87 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2bbu s PRO 122 N -0.48 4.29 0.00 -1.09 0.04 -1.26 -4.98 135.00 131.51 2bbu s PRO 122 Ca -0.03 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2bbu s PRO 122 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2bbu s PRO 122 CO 0.07 -0.58 0.04 -0.35 0.04 0.00 0.00 177.00 176.22 2bbu n PRO 123 N 5.73 0.00 -1.22 0.56 -0.04 -1.26 -5.06 135.00 133.71 2bbu n PRO 123 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2bbu n PRO 123 Cb 0.45 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 124 N -2.47 -2.44 -1.00 0.55 0.00 -1.26 -4.86 120.51 109.02 2bbu n ALA 124 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2bbu n ALA 124 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2bbu n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bbu n GLN 125 N 0.50 0.00 -2.71 0.00 6.02 -1.26 -4.74 117.38 115.19 2bbu n GLN 125 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2bbu n GLN 125 Cb 0.00 -0.48 0.10 0.00 1.02 0.00 0.00 30.24 30.87 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bbu n ALA 126 N -3.00 -0.06 -3.65 -1.58 0.00 -1.26 -5.06 120.51 105.89 2bbu n ALA 126 Ca 0.00 -1.23 -0.36 0.00 0.00 0.00 0.00 53.44 51.85 2bbu n ALA 126 Cb 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bbu s LEU 127 N -2.66 5.49 -0.78 0.00 1.43 -1.26 -4.95 118.68 115.95 2bbu s LEU 127 Ca 0.20 -3.45 -0.06 0.00 -1.03 0.00 0.00 54.13 49.80 2bbu s LEU 127 Cb 0.33 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 2bbu s LEU 127 CO -0.08 -0.25 2.35 -0.81 0.23 0.00 0.00 176.35 177.79 2bbu n PRO 128 N 2.70 2.12 0.00 1.29 -0.04 -1.26 -4.40 135.00 135.41 2bbu n PRO 128 Ca 0.17 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 2bbu n PRO 128 Cb 0.38 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2bbu n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 129 N 3.45 2.60 3.60 0.55 0.00 -1.26 -5.06 105.19 109.07 2bbu n GLY 129 Ca 0.45 -0.38 -0.57 0.00 0.00 0.00 0.00 46.02 45.52 2bbu n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bbu n SER 130 N 0.00 1.20 -0.19 1.61 7.64 -1.26 -4.80 113.62 117.81 2bbu n SER 130 Ca 0.00 1.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.94 2bbu n SER 130 Cb 0.00 -1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 2bbu n SER 130 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2bbu h THR 131 N 3.73 0.13 -0.01 0.44 2.02 -1.97 0.70 112.91 117.95 2bbu h THR 131 Ca -0.48 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 2bbu h THR 131 Cb 1.37 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2bbu h THR 131 CO 0.79 0.00 -0.65 1.55 0.37 0.00 0.00 175.52 177.58 2bbu h PRO 132 N -0.21 0.04 -3.97 6.66 0.13 -2.06 -3.49 132.00 129.10 2bbu h PRO 132 Ca 0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2bbu h PRO 132 Cb 0.56 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2bbu h PRO 132 CO -0.67 0.68 -0.94 1.17 -0.23 0.00 0.00 178.00 178.00 2bbu n LYS 133 N -3.77 -5.00 0.00 0.86 4.81 0.24 -4.98 118.16 110.32 2bbu n LYS 133 Ca -0.01 3.65 0.00 0.00 -0.87 0.00 0.00 58.31 61.07 2bbu n LYS 133 Cb 0.65 -4.05 0.00 0.00 0.02 0.00 0.00 35.03 31.65 2bbu n LYS 133 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bbu n ARG 134 N 0.00 0.39 0.00 1.64 5.12 -1.26 -5.07 116.66 117.48 2bbu n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2bbu n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bbu n ALA 135 N -3.00 0.00 -2.80 7.54 0.00 -1.26 -5.14 120.51 115.85 2bbu n ALA 135 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2bbu n ALA 135 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2bbu n ALA 135 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2bbu s TYR 136 N 0.00 3.22 0.23 0.00 1.13 -1.25 -4.99 117.35 115.68 2bbu s TYR 136 Ca 0.00 0.01 -0.17 0.00 -1.41 0.00 0.00 57.07 55.49 2bbu s TYR 136 Cb 0.00 -2.21 0.02 0.00 -1.10 0.00 0.00 41.96 38.66 2bbu s TYR 136 CO 0.00 -0.04 0.55 1.52 -2.51 0.00 0.00 175.55 175.07 2bbu s TYR 137 N 1.06 -0.01 0.07 -3.49 -0.85 -1.26 -2.81 117.35 110.05 2bbu s TYR 137 Ca 0.06 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.26 2bbu s TYR 137 Cb -0.14 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 2bbu s TYR 137 CO 0.04 -1.00 0.14 0.42 -1.52 0.00 0.00 175.55 173.63 2bbu s ILE 138 N -3.92 4.96 -0.14 -3.49 1.09 -0.44 -4.89 121.20 114.38 2bbu s ILE 138 Ca 0.13 -0.57 -0.12 0.00 -1.10 0.00 0.00 60.65 58.99 2bbu s ILE 138 Cb -0.02 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 37.93 2bbu s ILE 138 CO 0.02 0.14 0.25 -0.31 -0.10 0.00 0.00 174.94 174.94 2bbu s TYR 139 N -1.44 3.51 -0.50 3.97 1.51 -1.26 0.38 117.35 123.53 2bbu s TYR 139 Ca 0.32 0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 56.91 2bbu s TYR 139 Cb -0.13 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.46 2bbu s TYR 139 CO 0.25 0.40 3.01 0.45 -1.11 0.00 0.00 175.55 178.55 2bbu n SER 140 N 3.02 6.43 -2.14 2.29 2.88 0.36 -4.70 113.62 121.76 2bbu n SER 140 Ca -0.15 -2.92 -0.04 0.00 -1.33 0.00 0.00 58.87 54.43 2bbu n SER 140 Cb 0.53 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.65 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 141 N 1.68 -0.27 0.00 0.46 0.00 -1.26 -2.98 105.19 102.82 2bbu n GLY 141 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2bbu n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 142 N -0.48 0.69 3.14 -0.02 0.00 -1.26 -5.11 105.19 102.14 2bbu n GLY 142 Ca -0.05 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2bbu n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbu s GLU 143 N 0.00 2.97 -0.50 1.61 2.56 -1.16 -5.07 118.70 119.12 2bbu s GLU 143 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 54.97 53.86 2bbu s GLU 143 Cb 0.00 -2.50 -0.01 0.00 2.00 0.00 0.00 34.13 33.63 2bbu s GLU 143 CO 0.00 -0.13 1.65 -1.59 -0.56 0.00 0.00 175.26 174.62 2bbu s LYS 144 N 1.11 3.15 -0.45 4.30 -2.85 -1.26 0.14 119.74 123.87 2bbu s LYS 144 Ca 0.00 0.82 -0.25 0.00 -1.00 0.00 0.00 55.97 55.54 2bbu s LYS 144 Cb -0.14 -4.21 0.03 0.00 -2.06 0.00 0.00 37.83 31.45 2bbu s LYS 144 CO -0.09 -2.10 0.92 0.42 0.10 0.00 0.00 175.35 174.60 2bbu s ILE 145 N 7.09 4.49 0.04 3.79 1.09 0.16 -4.92 121.20 132.94 2bbu s ILE 145 Ca 0.65 0.78 -0.30 0.00 -1.10 0.00 0.00 60.65 60.68 2bbu s ILE 145 Cb -0.15 -4.42 -0.05 0.00 -1.06 0.00 0.00 42.46 36.78 2bbu s ILE 145 CO 0.27 -0.80 1.16 -2.16 -0.10 0.00 0.00 174.94 173.31 2bbu s PRO 146 N 3.71 4.45 -0.06 2.79 0.04 -1.26 -1.32 135.00 143.35 2bbu s PRO 146 Ca 0.37 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2bbu s PRO 146 Cb -0.10 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 2bbu s PRO 146 CO 0.25 -0.23 -0.19 -0.51 0.04 0.00 0.00 177.00 176.36 2bbu s LEU 147 N 1.14 1.95 -0.27 -3.56 1.02 -1.12 -4.92 118.68 112.91 2bbu s LEU 147 Ca 0.57 -0.41 -0.07 0.00 0.02 0.00 0.00 54.13 54.24 2bbu s LEU 147 Cb -0.27 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 2bbu s LEU 147 CO 0.28 0.17 0.07 0.68 0.02 0.00 0.00 176.35 177.57 2bbu s VAL 148 N 0.08 4.08 -0.19 -1.59 -7.23 -1.26 -3.96 120.40 110.32 2bbu s VAL 148 Ca -0.07 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 2bbu s VAL 148 Cb -0.13 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.85 2bbu s VAL 148 CO 0.03 0.22 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.73 2bbu s LEU 149 N 1.55 2.16 0.00 1.32 0.20 -1.26 -4.73 118.68 117.92 2bbu s LEU 149 Ca 0.05 -0.84 0.00 0.00 0.69 0.00 0.00 54.13 54.02 2bbu s LEU 149 Cb -0.16 -1.18 0.00 0.00 -0.43 0.00 0.00 46.19 44.42 2bbu s LEU 149 CO 0.02 -0.15 0.32 -0.24 -0.29 0.00 0.00 176.35 176.01 2bbu n SER 150 N 4.72 -0.04 -4.37 3.68 2.88 -1.25 -4.37 113.62 114.86 2bbu n SER 150 Ca -0.14 -0.64 -0.34 0.00 -1.33 0.00 0.00 58.87 56.42 2bbu n SER 150 Cb 0.47 0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bbu s ARG 151 N 0.00 3.44 0.26 -1.46 0.52 -1.26 -4.65 118.95 115.80 2bbu s ARG 151 Ca 0.00 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2bbu s ARG 151 Cb 0.00 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.49 2bbu s ARG 151 CO 0.00 0.01 1.17 -1.25 0.02 0.00 0.00 175.30 175.25 2bbu s PRO 152 N 0.93 4.54 0.13 3.54 0.04 -1.26 -1.69 135.00 141.23 2bbu s PRO 152 Ca -0.01 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 2bbu s PRO 152 Cb -0.15 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 2bbu s PRO 152 CO 0.01 0.03 0.49 -1.17 0.04 0.00 0.00 177.00 176.40 2bbu s LEU 153 N -1.08 4.32 -0.93 -3.56 2.96 -1.25 -4.81 118.68 114.32 2bbu s LEU 153 Ca 0.48 0.95 -0.22 0.00 -0.22 0.00 0.00 54.13 55.12 2bbu s LEU 153 Cb -0.34 -3.22 0.07 0.00 0.50 0.00 0.00 46.19 43.21 2bbu s LEU 153 CO 0.42 0.11 1.31 -0.94 -1.32 0.00 0.00 176.35 175.92 2bbu s SER 154 N -1.82 6.46 0.43 3.68 1.04 -1.26 -4.28 113.70 117.95 2bbu s SER 154 Ca 0.37 -1.44 0.28 0.00 0.48 0.00 0.00 55.95 55.64 2bbu s SER 154 Cb -0.14 -2.51 1.37 0.00 0.10 0.00 0.00 66.02 64.84 2bbu s SER 154 CO 0.19 -1.43 1.64 0.28 0.98 0.00 0.00 173.24 174.90 2bbu h SER 155 N 9.56 0.28 -0.02 7.02 0.02 -1.91 -3.51 113.55 125.00 2bbu h SER 155 Ca 0.09 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2bbu h SER 155 Cb 1.02 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2bbu h SER 155 CO 1.31 -0.17 0.00 0.59 -1.14 0.00 0.00 176.83 177.42